(2Z)-1-(2,4-difluorophenyl)penta-2,4-dien-1-imine

C11H9F2N — CID 59027692

IUPAC(2Z)-1-(2,4-difluorophenyl)penta-2,4-dien-1-imine
SMILES[H]/N=C(\C=C/C=C)c1ccc(F)cc1F
InChIInChI=1S/C11H9F2N/c1-2-3-4-11(14)9-6-5-8(12)7-10(9)13/h2-7,14H,1H2/b4-3-,14-11+
InChIKeyJFAZVOZJGTXALO-DSBCBKPPSA-N
MW193.20 g/mol
LogP3.07
Rot. Bonds3

About (2Z)-1-(2,4-difluorophenyl)penta-2,4-dien-1-imine

(2Z)-1-(2,4-difluorophenyl)penta-2,4-dien-1-imine (PubChem CID 59027692) has the molecular formula C11H9F2N and a molecular weight of 193.20 g/mol. Its IUPAC name is (2Z)-1-(2,4-difluorophenyl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-1-(2,4-difluorophenyl)penta-2,4-dien-1-imine
PubChem CID59027692
Molecular FormulaC11H9F2N
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(2Z)-1-(2,4-difluorophenyl)penta-2,4-dien-1-imine
SMILES[H]/N=C(\C=C/C=C)c1ccc(F)cc1F
InChIInChI=1S/C11H9F2N/c1-2-3-4-11(14)9-6-5-8(12)7-10(9)13/h2-7,14H,1H2/b4-3-,14-11+
InChIKeyJFAZVOZJGTXALO-DSBCBKPPSA-N
XLogP3.07
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 143767770
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CID 178070842
2,4-difluoro-1-prop-1-en-2-ylbenzene
CID 10877333
2,4-difluoro-N,N-dipropylbenzenecarboximidamide
CID 141399914
(Z)-1-(2,4-difluorophenyl)-N-ethenylbut-2-en-1-imine
CID 142896113
(2Z)-1-[3-[(methylideneamino)methyl]phenyl]penta-2,4-dien-1-imine
CID 142560985
(2Z)-1-(3-methyl-5-phenylphenyl)penta-2,4-dien-1-imine
CID 144968069
1-but-1-en-2-yl-2,4-difluorobenzene
CID 57095622
2,4-difluorobenzoyl bromide
CID 87349807
2,4-difluorobenzenecarbothioamide
CID 2781868
(Z)-3-amino-3-(2,4-difluorophenyl)-N-ethenylprop-2-enimidoyl iodide
CID 88963468
2-amino-1-(2,4-difluorophenyl)pent-4-en-1-one
CID 116606900

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-(2,4-difluorophenyl)penta-2,4-dien-1-imine?
The IUPAC name of (2Z)-1-(2,4-difluorophenyl)penta-2,4-dien-1-imine (CID 59027692) is (2Z)-1-(2,4-difluorophenyl)penta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-1-(2,4-difluorophenyl)penta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-1-(2,4-difluorophenyl)penta-2,4-dien-1-imine is [H]/N=C(\C=C/C=C)c1ccc(F)cc1F.
What is the InChIKey of (2Z)-1-(2,4-difluorophenyl)penta-2,4-dien-1-imine?
The InChIKey is JFAZVOZJGTXALO-DSBCBKPPSA-N. The full InChI is InChI=1S/C11H9F2N/c1-2-3-4-11(14)9-6-5-8(12)7-10(9)13/h2-7,14H,1H2/b4-3-,14-11+.
What are the key properties of (2Z)-1-(2,4-difluorophenyl)penta-2,4-dien-1-imine?
(2Z)-1-(2,4-difluorophenyl)penta-2,4-dien-1-imine has a molecular weight of 193.20 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-(2,4-difluorophenyl)penta-2,4-dien-1-imine is sourced from PubChem (CID 59027692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).